SCHEMBL6440792

SCHEMBL6440792

Cc1cnc(NCC2CCCCC2)nc1CC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RIPK2 O43353 1/20 0.37
CSNK2A1 P68400 1/20 0.37
GSK3B P49841 2/20 0.35
CDK2 P24941 2/20 0.35
CDC7 O00311 2/20 0.35
ROCK2 O75116 1/20 0.35
CCNB2 O95067 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK1 P06493 1/20 0.35
RET P07949 1/20 0.35
CCNB1 P14635 1/20 0.35
PRKACA P17612 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
ACACB O00763 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Pyridine SCHEMBL3569024 0.92 MEN1 (0.38) PRKCQMEN1KMT2ARIPK2CSNK2A1
Pyridine SCHEMBL3571503 0.75 CTSK (0.43) CDK2CDK1CCNB1JAK2JAK1
SCHEMBL24701363 0.73 ACACB (0.43) MEN1KMT2AGSK3BCDK2CDC7
SCHEMBL23169266 0.72 VNN1 (0.47) PRKCQCSNK2A1ACACBKDM1AAOC1
SCHEMBL3569022 0.70 GPR39 (0.41) PRKCQMEN1KMT2ARIPK2CSNK2A1
SCHEMBL8303007 0.69 PRKCQ (0.34) PRKCQMEN1KMT2ARIPK2CSNK2A1
SCHEMBL13403220 0.68 CDC7 (0.51) MEN1KMT2AGSK3BCDK2CDC7
SCHEMBL23169314 0.68 ASPH (0.42) PRKCQMEN1KMT2AGSK3BCDK2
SCHEMBL25786503 0.67 MAPT (0.34) MEN1KMT2AJAK2JAK1JAK3
SCHEMBL23169614 0.67 GPR39 (0.43) PRKCQMEN1KMT2ACSNK2A1GSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527070-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2005-05-04 EP disclosed
WO-2003106455-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-12-24 WO disclosed